6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine

C54H38N4 — CID 129201348

IUPAC6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine
SMILESc1ccc(C2=NC(c3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)cc4)cc(-c4c5ccccc5cc5ccccc45)c3)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C54H38N4/c1-3-15-37(16-4-1)52-56-53(38-17-5-2-6-18-38)58-54(57-52)43-33-41(32-42(34-43)50-44-21-9-7-19-39(44)31-40-20-8-10-22-45(40)50)35-27-29-36(30-28-35)51-48-25-12-11-23-46(48)47-24-13-14-26-49(47)55-51/h1-34,52,54,57H,(H,56,58)
InChIKeyGNTOMPYBXFKQAL-UHFFFAOYSA-N
MW742.93 g/mol
LogP13.03
Rot. Bonds6

About 6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine

6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine (PubChem CID 129201348) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine.

Molecular Properties

Compound Name6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine
PubChem CID129201348
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC Name6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine
SMILESc1ccc(C2=NC(c3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)cc4)cc(-c4c5ccccc5cc5ccccc45)c3)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C54H38N4/c1-3-15-37(16-4-1)52-56-53(38-17-5-2-6-18-38)58-54(57-52)43-33-41(32-42(34-43)50-44-21-9-7-19-39(44)31-40-20-8-10-22-45(40)50)35-27-29-36(30-28-35)51-48-25-12-11-23-46(48)47-24-13-14-26-49(47)55-51/h1-34,52,54,57H,(H,56,58)
InChIKeyGNTOMPYBXFKQAL-UHFFFAOYSA-N
XLogP13.03
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 513.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenanthridine
CID 129201100
5-[4-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-5-(4-naphthalen-1-ylphenyl)phenyl]phenyl]benzo[c][2,7]naphthyridine
CID 129200720
6-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine
CID 118952140
4,6-diphenyl-2-[3-[1-(4-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 145415056
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170410069
2-[2-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099184
4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 139304267
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129128255
6-[5-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-5-phenanthren-9-ylphenyl]naphthalen-1-yl]-4a,5-dihydrophenanthridine
CID 129201260

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine?
The IUPAC name of 6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine (CID 129201348) is 6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine.
What is the SMILES notation for 6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine?
The canonical SMILES for 6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine is c1ccc(C2=NC(c3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)cc4)cc(-c4c5ccccc5cc5ccccc45)c3)NC(c3ccccc3)N2)cc1.
What is the InChIKey of 6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine?
The InChIKey is GNTOMPYBXFKQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-3-15-37(16-4-1)52-56-53(38-17-5-2-6-18-38)58-54(57-52)43-33-41(32-42(34-43)50-44-21-9-7-19-39(44)31-40-20-8-10-22-45(40)50)35-27-29-36(30-28-35)51-48-25-12-11-23-46(48)47-24-13-14-26-49(47)55-51/h1-34,52,54,57H,(H,56,58).
What are the key properties of 6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine?
6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine has a molecular weight of 742.93 g/mol, XLogP of 13.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-anthracen-9-yl-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]phenanthridine is sourced from PubChem (CID 129201348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).